REMARK VINA RESULT: -1.9 3.180 8.111 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 -1.640 -20.595 6.596 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -6.161 -19.808 9.053 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.664 -15.487 7.224 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -3.503 -13.918 8.034 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.015 -14.280 8.096 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -4.275 -15.061 8.697 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.716 -16.597 7.346 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -3.891 -16.418 8.117 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -2.443 -17.884 6.828 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.696 -17.532 8.409 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -3.232 -19.008 7.161 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -4.369 -18.819 7.941 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.825 -20.397 6.822 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -5.209 -19.969 8.298 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.773 -21.540 6.937 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -4.922 -21.302 7.719 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -3.586 -22.842 6.418 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -5.846 -22.323 8.011 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -4.535 -23.843 6.728 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -5.648 -23.599 7.520 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -1.390 -15.157 5.838 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.168 -14.411 5.615 0.00 0.00 0.263 C ATOM 23 O UNL d 1 0.671 -14.358 6.780 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 0.268 -13.446 7.808 0.00 0.00 0.151 C ATOM 25 C UNL d 1 0.117 -12.013 7.258 0.00 0.00 0.179 C ATOM 26 C UNL d 1 1.312 -13.508 8.925 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.887 -12.053 6.090 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -0.369 -13.013 5.019 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 1.370 -11.487 6.788 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 1.658 -12.033 6.033 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -1.098 -10.732 5.485 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -0.780 -10.754 4.515 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.107 -10.570 5.417 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 -3.688 -12.598 8.807 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -2.725 -11.904 9.157 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -5.098 -12.156 9.174 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.934 -12.179 8.019 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.334 -12.216 7.247 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 -3.969 -13.750 6.695 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.328 -14.116 6.057 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.380 -18.025 5.972 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.774 -18.697 6.334 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -5.786 -17.310 9.216 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -5.472 -17.163 10.139 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -2.637 -23.409 5.618 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.362 -23.819 6.063 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11